10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)

C81H52Au4Cl3F24IN4S-8 — CID 158488525

IUPAC10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)
SMILESCc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1c[c-]c(-c2ccccn2)s1.Cl[Au].Cl[Au].Cl[Au].I[Au].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H8N.2C11H8N.C10H8NS.4C9H5F6.4Au.3ClH.HI/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-5-6-10(12-8)9-4-2-3-7-11-9;4*1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;;;;;;;;/h1-5,7-9H;2*1-6,8-9H;2-5,7H,1H3;4*2,4H,1H3;;;;;4*1H/q8*-1;4*+1;;;;/p-4
InChIKeyXPBBHNPXGOPKNS-UHFFFAOYSA-J
MW2590.48 g/mol
LogP29.48
Rot. Bonds3

About 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)

10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine) (PubChem CID 158488525) has the molecular formula C81H52Au4Cl3F24IN4S-8 and a molecular weight of 2590.48 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine).

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)
PubChem CID158488525
Molecular FormulaC81H52Au4Cl3F24IN4S-8
Molecular Weight2590.48 g/mol
Exact Mass2588.03
IUPAC Name10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)
SMILESCc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1c[c-]c(-c2ccccn2)s1.Cl[Au].Cl[Au].Cl[Au].I[Au].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H8N.2C11H8N.C10H8NS.4C9H5F6.4Au.3ClH.HI/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-5-6-10(12-8)9-4-2-3-7-11-9;4*1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;;;;;;;;/h1-5,7-9H;2*1-6,8-9H;2-5,7H,1H3;4*2,4H,1H3;;;;;4*1H/q8*-1;4*+1;;;;/p-4
InChIKeyXPBBHNPXGOPKNS-UHFFFAOYSA-J
XLogP29.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002590.48
LogP ≤ 529.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine) (CID 158488525) is 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine).
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine) is Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1c[c-]c(-c2ccccn2)s1.Cl[Au].Cl[Au].Cl[Au].I[Au].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)?
The InChIKey is XPBBHNPXGOPKNS-UHFFFAOYSA-J. The full InChI is InChI=1S/C13H8N.2C11H8N.C10H8NS.4C9H5F6.4Au.3ClH.HI/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-5-6-10(12-8)9-4-2-3-7-11-9;4*1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;;;;;;;;/h1-5,7-9H;2*1-6,8-9H;2-5,7H,1H3;4*2,4H,1H3;;;;;4*1H/q8*-1;4*+1;;;;/p-4.
What are the key properties of 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine)?
10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine) has a molecular weight of 2590.48 g/mol, XLogP of 29.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;chlorogold;iodogold;tetrakis(1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide);2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 158488525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).